Geometry & MOs

Info

ID:	357636
PubChem CID:	127294309
Reduced:	SN6H18C20 (1)
Stoich.:	AB6C18D20 (1)
Weight, g/mol:	389.142265
ΔH_f, kcal/mol:	132.38
Dipole, Da:	2.74
IP(EA), eV:	-8.72(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-pyrazin-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC3=NC(=NC(=C23)N4CCN5C=CN=C5C4)C6=CN=CC=C6

DOS

IR

Vibrations